SCHEMBL3601167

SCHEMBL3601167

COc1ccc(Cn2cc(C(O)(CN3CCC(Oc4ccc(CC(=O)O)cc4OC)CC3)C(F)(F)F)c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CCR5 P51681 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH2 P25021 2/20 0.34
KCNJ1 P48048 1/20 0.34
BCHE P06276 1/20 0.34
GFER P55789 1/20 0.33
GAA P10253 1/20 0.33
UTS2R Q9UKP6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3602943 1.00 ACHE (0.37) ACHEALDH1A1MAPTKDM4EHTT
SCHEMBL3596388 0.95 SIGMAR1 (0.39) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL3589007 0.95 ALDH1A1 (0.37) ACHEALDH1A1MAPTKDM4EHTT
SCHEMBL3589013 0.95 ALDH1A1 (0.37) ACHEALDH1A1MAPTKDM4EHTT
SCHEMBL3591374 0.95 HRH2 (0.38) ACHEALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3592151 0.95 MEN1 (0.40) ACHEALDH1A1MAPTKDM4EHTT
SCHEMBL3591379 0.95 HRH2 (0.38) ACHEALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3592156 0.95 MEN1 (0.40) ACHEALDH1A1MAPTKDM4EHTT
SCHEMBL3598755 0.94 ALDH1A1 (0.38) ACHEALDH1A1MAPTKDM4EHTT
SCHEMBL3598750 0.94 ALDH1A1 (0.38) ACHEALDH1A1MAPTKDM4EHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 ACHE 3194/4885ALDH1A1 4118/4885MAPT 4708/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.